General Information of the Compound
Compound ID
CP0001508
Compound Name
(+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol]
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Synonyms
2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propanol
23210-56-2
4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol
4-Benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
Alpha 1-PI
CHEMBL305187
Creocral
Dilvax
EINECS 245-491-4
IFENPRODIL HEMITARTRATE
Ifenprodil
Ifenprodil [INN:DCF]
Ifenprodilum [INN-Latin]
NCGC00024643-03
R8OE3P6O5S
RC 61-91
UNII-R8OE3P6O5S
Vadilex
alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidine
ifenprodil tartrate
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Structure
Formula
C21H27NO2
Molecular Weight
325.452
Canonical SMILES
CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
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InChI
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
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InChIKey
UYNVMODNBIQBMV-UHFFFAOYSA-N
CAS
23210-56-2
Physicochemical Property
logP
3.7688
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
43.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3689
SID: 14752941
ChEMBL ID
CHEMBL305187
DrugBank ID
DB08954
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29855.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT02751, Glutamate receptor ionotropic, NMDA 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  3
1
IC50 = 13.3 nM
   TI
   LI
   LO
   TS
2
Ki = 10 nM
   TI
   LI
   LO
   TS
3
Ki = 10.07 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 11668.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Alpha 1-PI )
Drug Name Alpha 1-PI
Indication
Alpha-1 antitrypsin deficiency
Approved
Cancer related pain
Withdrawn from market
Target(s)
Pancreatic elastase 1 (CELA1)
Inhibitor
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)
Antagonist
Drug 2 ( Ifenprodil )
Drug Name Ifenprodil
Indication
Coronavirus Disease 2019 (COVID-19)
Phase 2/3